Tetrahydroarnifolin | 25644-10-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Tetrahydroarnifolin
• 英文别名: (6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbutanoate
• CAS: 25644-10-4
• 化学式: C₂₀H₃₀O₆
• 分子量: 366.455
• InChiKey: YKSJUBVMFAEICD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 11 beta, 13-DIHYDROHELENALIN DERIVATIVES AND USES THEREOF AS BOMBESIN RECEPTOR SUBTYPE 3 AGNOISTS
  申请人：KING Klim

  公开号：US20120156314A1

  公开（公告）日：2012-06-21

  The present invention relates to compounds of formual (I): wherein Y is a single bond or double bound; and R 1 is —C(CH 3 )C 2 H 5 or —C(CH 3 )═CHCH 3 , when Y is a single bound; R 1 is —C(CH 3 )═CH 2 , is —C(CH 3 ) 2 , —C(CH 3 )═CHCH 3 , —C(CH 3 )C 2 H 5 , or —CH 2 C(CH 3 ) 2 , when Y is a double bound. These compounds are bombesin receptor subtype 3 (BRS3) modulating agents, more specifically that they are BRS3 agonists. The invention is also related to the use of such compounds to treat diseases associated with inappropriate BRS3 activity.